2-(2-chloro-6-fluorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide

C15H20ClFN2O — CID 17173756

IUPAC2-(2-chloro-6-fluorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C15H20ClFN2O/c1-2-19-8-6-11(7-9-19)18-15(20)10-12-13(16)4-3-5-14(12)17/h3-5,11H,2,6-10H2,1H3,(H,18,20)
InChIKeyXZHSLDFDOXLGCN-UHFFFAOYSA-N
MW298.79 g/mol
LogP2.62
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide (PubChem CID 17173756) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide
PubChem CID17173756
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C15H20ClFN2O/c1-2-19-8-6-11(7-9-19)18-15(20)10-12-13(16)4-3-5-14(12)17/h3-5,11H,2,6-10H2,1H3,(H,18,20)
InChIKeyXZHSLDFDOXLGCN-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide (CID 17173756) is 2-(2-chloro-6-fluorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide is CCN1CCC(NC(=O)Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide?
The InChIKey is XZHSLDFDOXLGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c1-2-19-8-6-11(7-9-19)18-15(20)10-12-13(16)4-3-5-14(12)17/h3-5,11H,2,6-10H2,1H3,(H,18,20).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide has a molecular weight of 298.79 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 17173756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).